ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14F3N3O2S MolecularWeight: 357.35077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)SC

InChI

InChI=1S/C15H14F3N3O2S/c1-3-23-13(22)11-8-19-14(24-2)21-12(11)20-10-6-4-5-9(7-10)15(16,17)18/h4-8H,3H2,1-2H3,(H,19,20,21)